CID 17750204

1150561-76-4

Structural Information

Molecular Formula
C11H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)C
InChI
InChI=1S/C11H17BN2O3/c1-8(15)14-7-9(6-13-14)12-16-10(2,3)11(4,5)17-12/h6-7H,1-5H3
InChIKey
GAXOQGDPSCOOLC-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

236.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14050 145.8
[M+Na]+ 259.12244 155.8
[M-H]- 235.12594 152.2
[M+NH4]+ 254.16704 166.3
[M+K]+ 275.09638 157.0
[M+H-H2O]+ 219.13048 141.3
[M+HCOO]- 281.13142 165.1
[M+CH3COO]- 295.14707 190.2
[M+Na-2H]- 257.10789 149.4
[M]+ 236.13267 150.0
[M]- 236.13377 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe